(2S)-2-benzamido-3-[4-[4-(4-carbamimidoylphenoxy)butoxy]phenyl]propanoic acid

Systemtic Name: (2S)-2-benzamido-3-[4-[4-(4-carbamimidoylphenoxy)butoxy]phenyl]propanoic acid Openeye Name: (2S)-2-benzamido-3-[4-[4-(4-carbamimidoylphenoxy)butoxy]phenyl]propanoic acid CAS Name: (2S)-2-benzamido-3-[4-[4-(4-carbamimidoylphenoxy)butoxy]phenyl]propanoic acid IUPAC Name: (2S)-2-benzamido-3-[4-[4-(4-carbamimidoylphenoxy)butoxy]phenyl]propanoic acid Traditional Name: (2S)-3-[4-[4-(4-amidinophenoxy)butoxy]phenyl]-2-benzamido-propionic acid Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CC2=CC=C(C=C2)OCCCCOC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)OCCCCOC3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C27H29N3O5/c28-25(29)20-10-14-23(15-11-20)35-17-5-4-16-34-22-12-8-19(9-13-22)18-24(27(32)33)30-26(31)21-6-2-1-3-7-21/h1-3,6-15,24H,4-5,16-18H2,(H3,28,29)(H,30,31)(H,32,33)/t24-/m0/s1